USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 LYS NZ :NH3+ -172:sc= 0.595 (180deg=0.307) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.178 USER MOD Set 2.1: A 44 SER OG : rot -67:sc= 1.33 USER MOD Set 2.2: A 49 GLN : amide:sc= 1.82 K(o=3.3,f=-4.5!) USER MOD Set 2.3: A 90 LYS NZ :NH3+ -137:sc= 0.121 (180deg=-0.329!) USER MOD Set 3.1: A 17 GLN : amide:sc= 0.789 K(o=1.7,f=-1.3) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 172:sc= 0.895 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -54:sc= 1.09 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.83) USER MOD Single : A 40 SER OG : rot -92:sc= 1.03 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.04) USER MOD Single : A 55 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.31) USER MOD Single : A 56 ASN : amide:sc= -0.244 K(o=-0.24,f=-5.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.08! C(o=-5.1!,f=-8.1!) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.368 F(o=-1,f=-0.37) USER MOD Single : A 74 THR OG1 : rot 150:sc= -0.48 USER MOD Single : A 77 HIS : no HE2:sc= -2.45 K(o=-2.5,f=-5.3!) USER MOD Single : A 84 THR OG1 : rot 57:sc= 0.395 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 129:sc= 0.831 USER MOD Single : A 98 TYR OH : rot 120:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.568 -6.795 2.283 1.00 0.00 N ATOM 145 CA THR A 11 12.415 -8.202 1.928 1.00 0.00 C ATOM 146 C THR A 11 11.135 -8.751 2.552 1.00 0.00 C ATOM 147 O THR A 11 10.431 -8.042 3.248 1.00 0.00 O ATOM 148 CB THR A 11 13.656 -9.005 2.363 1.00 0.00 C ATOM 149 OG1 THR A 11 14.086 -8.714 3.673 1.00 0.00 O ATOM 150 CG2 THR A 11 14.849 -8.757 1.443 1.00 0.00 C ATOM 0 HA THR A 11 12.332 -8.299 0.845 1.00 0.00 H new ATOM 0 HB THR A 11 13.328 -10.043 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.228 -7.749 3.764 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.702 -9.343 1.787 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.592 -9.053 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.107 -7.698 1.459 1.00 0.00 H new ATOM 158 N ALA A 12 10.779 -10.001 2.294 1.00 0.00 N ATOM 159 CA ALA A 12 9.510 -10.581 2.749 1.00 0.00 C ATOM 160 C ALA A 12 9.460 -10.648 4.258 1.00 0.00 C ATOM 161 O ALA A 12 8.498 -10.152 4.843 1.00 0.00 O ATOM 162 CB ALA A 12 9.289 -11.956 2.113 1.00 0.00 C ATOM 0 H ALA A 12 11.360 -10.649 1.762 1.00 0.00 H new ATOM 0 HA ALA A 12 8.696 -9.933 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.343 -12.371 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.263 -11.855 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.104 -12.623 2.396 1.00 0.00 H new ATOM 168 N ALA A 13 10.499 -11.190 4.889 1.00 0.00 N ATOM 169 CA ALA A 13 10.466 -11.270 6.347 1.00 0.00 C ATOM 170 C ALA A 13 10.593 -9.868 6.949 1.00 0.00 C ATOM 171 O ALA A 13 10.061 -9.597 8.026 1.00 0.00 O ATOM 172 CB ALA A 13 11.565 -12.190 6.868 1.00 0.00 C ATOM 0 H ALA A 13 11.336 -11.564 4.441 1.00 0.00 H new ATOM 0 HA ALA A 13 9.510 -11.695 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.519 -12.232 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.425 -13.191 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.538 -11.805 6.561 1.00 0.00 H new ATOM 178 N GLU A 14 11.271 -8.967 6.234 1.00 0.00 N ATOM 179 CA GLU A 14 11.527 -7.610 6.667 1.00 0.00 C ATOM 180 C GLU A 14 10.289 -6.743 6.441 1.00 0.00 C ATOM 181 O GLU A 14 10.116 -5.741 7.121 1.00 0.00 O ATOM 182 CB GLU A 14 12.709 -7.148 5.826 1.00 0.00 C ATOM 183 CG GLU A 14 13.241 -5.740 6.072 1.00 0.00 C ATOM 184 CD GLU A 14 14.361 -5.363 5.092 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.666 -6.124 4.140 1.00 0.00 O ATOM 186 OE2 GLU A 14 14.888 -4.235 5.248 1.00 0.00 O ATOM 0 H GLU A 14 11.663 -9.176 5.316 1.00 0.00 H new ATOM 0 HA GLU A 14 11.751 -7.539 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.528 -7.849 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.424 -7.221 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.424 -5.024 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.615 -5.668 7.093 1.00 0.00 H new ATOM 193 N ILE A 15 9.411 -7.109 5.510 1.00 0.00 N ATOM 194 CA ILE A 15 8.118 -6.507 5.284 1.00 0.00 C ATOM 195 C ILE A 15 7.219 -6.966 6.404 1.00 0.00 C ATOM 196 O ILE A 15 6.648 -6.124 7.090 1.00 0.00 O ATOM 197 CB ILE A 15 7.587 -6.852 3.864 1.00 0.00 C ATOM 198 CG1 ILE A 15 8.249 -5.852 2.911 1.00 0.00 C ATOM 199 CG2 ILE A 15 6.051 -6.817 3.777 1.00 0.00 C ATOM 200 CD1 ILE A 15 8.014 -6.177 1.431 1.00 0.00 C ATOM 0 H ILE A 15 9.601 -7.875 4.864 1.00 0.00 H new ATOM 0 HA ILE A 15 8.167 -5.418 5.300 1.00 0.00 H new ATOM 0 HB ILE A 15 7.843 -7.877 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.867 -4.853 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.321 -5.831 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.738 -7.066 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.630 -7.541 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.695 -5.819 4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.510 -5.430 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.421 -7.163 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.944 -6.170 1.222 1.00 0.00 H new ATOM 212 N GLU A 16 7.102 -8.274 6.601 1.00 0.00 N ATOM 213 CA GLU A 16 6.217 -8.762 7.648 1.00 0.00 C ATOM 214 C GLU A 16 6.590 -8.192 9.020 1.00 0.00 C ATOM 215 O GLU A 16 5.714 -7.677 9.711 1.00 0.00 O ATOM 216 CB GLU A 16 6.234 -10.280 7.697 1.00 0.00 C ATOM 217 CG GLU A 16 5.609 -10.925 6.448 1.00 0.00 C ATOM 218 CD GLU A 16 5.639 -12.455 6.504 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.662 -13.080 6.139 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.616 -13.058 6.911 1.00 0.00 O ATOM 0 H GLU A 16 7.591 -8.994 6.069 1.00 0.00 H new ATOM 0 HA GLU A 16 5.211 -8.421 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.263 -10.624 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.694 -10.616 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.577 -10.588 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.144 -10.586 5.561 1.00 0.00 H new ATOM 227 N GLN A 17 7.866 -8.232 9.424 1.00 0.00 N ATOM 228 CA GLN A 17 8.267 -7.715 10.727 1.00 0.00 C ATOM 229 C GLN A 17 8.428 -6.198 10.672 1.00 0.00 C ATOM 230 O GLN A 17 8.271 -5.525 11.691 1.00 0.00 O ATOM 231 CB GLN A 17 9.553 -8.409 11.200 1.00 0.00 C ATOM 232 CG GLN A 17 9.969 -8.009 12.623 1.00 0.00 C ATOM 233 CD GLN A 17 8.857 -8.193 13.656 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.560 -9.309 14.080 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.207 -7.120 14.073 1.00 0.00 N ATOM 0 H GLN A 17 8.630 -8.616 8.867 1.00 0.00 H new ATOM 0 HA GLN A 17 7.486 -7.934 11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.411 -9.489 11.160 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.362 -8.168 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.833 -8.603 12.921 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.284 -6.966 12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.461 -6.199 13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.452 -7.213 14.752 1.00 0.00 H new ATOM 244 N GLY A 18 8.698 -5.645 9.492 1.00 0.00 N ATOM 245 CA GLY A 18 8.825 -4.224 9.285 1.00 0.00 C ATOM 246 C GLY A 18 7.506 -3.551 9.554 1.00 0.00 C ATOM 247 O GLY A 18 7.471 -2.454 10.117 1.00 0.00 O ATOM 0 H GLY A 18 8.836 -6.192 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.592 -3.818 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.145 -4.023 8.262 1.00 0.00 H new ATOM 251 N PHE A 19 6.419 -4.206 9.138 1.00 0.00 N ATOM 252 CA PHE A 19 5.133 -3.549 9.025 1.00 0.00 C ATOM 253 C PHE A 19 4.080 -4.232 9.889 1.00 0.00 C ATOM 254 O PHE A 19 2.899 -3.893 9.811 1.00 0.00 O ATOM 255 CB PHE A 19 4.833 -3.380 7.533 1.00 0.00 C ATOM 256 CG PHE A 19 5.947 -2.618 6.812 1.00 0.00 C ATOM 257 CD1 PHE A 19 6.389 -1.370 7.296 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.644 -3.210 5.744 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.482 -0.712 6.710 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.764 -2.571 5.180 1.00 0.00 C ATOM 261 CZ PHE A 19 8.174 -1.315 5.649 1.00 0.00 C ATOM 0 H PHE A 19 6.413 -5.192 8.876 1.00 0.00 H new ATOM 0 HA PHE A 19 5.132 -2.543 9.444 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.708 -4.361 7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.890 -2.848 7.410 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.879 -0.913 8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.317 -4.162 5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.790 0.257 7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.311 -3.051 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.017 -0.815 5.196 1.00 0.00 H new ATOM 271 N LYS A 20 4.530 -5.090 10.812 1.00 0.00 N ATOM 272 CA LYS A 20 3.723 -5.765 11.833 1.00 0.00 C ATOM 273 C LYS A 20 2.874 -4.859 12.724 1.00 0.00 C ATOM 274 O LYS A 20 1.976 -5.323 13.430 1.00 0.00 O ATOM 275 CB LYS A 20 4.668 -6.624 12.689 1.00 0.00 C ATOM 276 CG LYS A 20 3.914 -7.720 13.450 1.00 0.00 C ATOM 277 CD LYS A 20 4.829 -8.858 13.893 1.00 0.00 C ATOM 278 CE LYS A 20 5.320 -9.658 12.684 1.00 0.00 C ATOM 279 NZ LYS A 20 6.226 -10.738 13.096 1.00 0.00 N ATOM 0 H LYS A 20 5.516 -5.344 10.869 1.00 0.00 H new ATOM 0 HA LYS A 20 2.986 -6.363 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.423 -7.080 12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.195 -5.986 13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.432 -7.284 14.325 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.123 -8.120 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.682 -8.454 14.439 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.294 -9.516 14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.467 -10.078 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.834 -8.994 11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.436 -11.346 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.110 -10.329 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.774 -11.305 13.842 1.00 0.00 H new ATOM 293 N ASP A 21 3.120 -3.563 12.657 1.00 0.00 N ATOM 294 CA ASP A 21 2.531 -2.521 13.476 1.00 0.00 C ATOM 295 C ASP A 21 1.126 -2.189 12.985 1.00 0.00 C ATOM 296 O ASP A 21 0.364 -1.524 13.690 1.00 0.00 O ATOM 297 CB ASP A 21 3.382 -1.264 13.307 1.00 0.00 C ATOM 298 CG ASP A 21 4.762 -1.414 13.921 1.00 0.00 C ATOM 299 OD1 ASP A 21 4.910 -1.244 15.148 1.00 0.00 O ATOM 300 OD2 ASP A 21 5.719 -1.707 13.170 1.00 0.00 O ATOM 0 H ASP A 21 3.784 -3.185 11.981 1.00 0.00 H new ATOM 0 HA ASP A 21 2.487 -2.856 14.512 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.482 -1.036 12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.872 -0.418 13.768 1.00 0.00 H new ATOM 305 N VAL A 22 0.764 -2.654 11.791 1.00 0.00 N ATOM 306 CA VAL A 22 -0.567 -2.639 11.238 1.00 0.00 C ATOM 307 C VAL A 22 -0.865 -4.080 10.788 1.00 0.00 C ATOM 308 O VAL A 22 0.075 -4.849 10.550 1.00 0.00 O ATOM 309 CB VAL A 22 -0.604 -1.621 10.078 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.572 -0.480 10.405 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.728 -0.929 9.728 1.00 0.00 C ATOM 0 H VAL A 22 1.441 -3.074 11.154 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.330 -2.328 11.952 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.899 -2.237 9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.589 0.231 9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.573 -0.884 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.244 0.026 11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.572 -0.239 8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.091 -0.378 10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.464 -1.680 9.441 1.00 0.00 H new ATOM 321 N PRO A 23 -2.139 -4.493 10.700 1.00 0.00 N ATOM 322 CA PRO A 23 -2.481 -5.803 10.184 1.00 0.00 C ATOM 323 C PRO A 23 -2.393 -5.816 8.662 1.00 0.00 C ATOM 324 O PRO A 23 -2.328 -4.773 7.997 1.00 0.00 O ATOM 325 CB PRO A 23 -3.907 -6.069 10.654 1.00 0.00 C ATOM 326 CG PRO A 23 -4.493 -4.674 10.577 1.00 0.00 C ATOM 327 CD PRO A 23 -3.351 -3.801 11.100 1.00 0.00 C ATOM 0 HA PRO A 23 -1.796 -6.573 10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.431 -6.774 10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.940 -6.477 11.664 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.772 -4.408 9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.390 -4.577 11.189 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.393 -2.799 10.674 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.403 -3.689 12.183 1.00 0.00 H new ATOM 335 N SER A 24 -2.475 -7.029 8.137 1.00 0.00 N ATOM 336 CA SER A 24 -2.361 -7.324 6.722 1.00 0.00 C ATOM 337 C SER A 24 -3.731 -7.621 6.123 1.00 0.00 C ATOM 338 O SER A 24 -4.722 -7.727 6.854 1.00 0.00 O ATOM 339 CB SER A 24 -1.402 -8.510 6.531 1.00 0.00 C ATOM 340 OG SER A 24 -1.831 -9.664 7.231 1.00 0.00 O ATOM 0 H SER A 24 -2.628 -7.862 8.706 1.00 0.00 H new ATOM 0 HA SER A 24 -1.959 -6.456 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.320 -8.741 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.406 -8.229 6.874 1.00 0.00 H new ATOM 0 HG SER A 24 -1.194 -10.393 7.081 1.00 0.00 H new ATOM 346 N PHE A 25 -3.797 -7.823 4.810 1.00 0.00 N ATOM 347 CA PHE A 25 -4.926 -8.439 4.157 1.00 0.00 C ATOM 348 C PHE A 25 -4.368 -9.415 3.140 1.00 0.00 C ATOM 349 O PHE A 25 -3.216 -9.295 2.710 1.00 0.00 O ATOM 350 CB PHE A 25 -5.766 -7.353 3.503 1.00 0.00 C ATOM 351 CG PHE A 25 -6.970 -7.841 2.728 1.00 0.00 C ATOM 352 CD1 PHE A 25 -8.043 -8.444 3.411 1.00 0.00 C ATOM 353 CD2 PHE A 25 -7.030 -7.676 1.331 1.00 0.00 C ATOM 354 CE1 PHE A 25 -9.160 -8.902 2.695 1.00 0.00 C ATOM 355 CE2 PHE A 25 -8.157 -8.119 0.622 1.00 0.00 C ATOM 356 CZ PHE A 25 -9.212 -8.751 1.301 1.00 0.00 C ATOM 0 H PHE A 25 -3.051 -7.556 4.168 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.570 -8.974 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.108 -6.666 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.129 -6.781 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.007 -8.554 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.210 -7.209 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.980 -9.371 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.213 -7.974 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.064 -9.121 0.750 1.00 0.00 H new ATOM 366 N VAL A 26 -5.201 -10.357 2.729 1.00 0.00 N ATOM 367 CA VAL A 26 -4.936 -11.261 1.651 1.00 0.00 C ATOM 368 C VAL A 26 -6.184 -11.318 0.784 1.00 0.00 C ATOM 369 O VAL A 26 -7.286 -11.459 1.326 1.00 0.00 O ATOM 370 CB VAL A 26 -4.459 -12.595 2.234 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.515 -13.389 2.987 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.836 -13.490 1.167 1.00 0.00 C ATOM 0 H VAL A 26 -6.112 -10.509 3.162 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.127 -10.939 0.995 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.710 -12.297 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.077 -14.315 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.884 -12.799 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.342 -13.623 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.511 -14.426 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.573 -13.700 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.978 -12.985 0.724 1.00 0.00 H new ATOM 382 N HIS A 27 -6.010 -11.190 -0.532 1.00 0.00 N ATOM 383 CA HIS A 27 -7.037 -11.556 -1.493 1.00 0.00 C ATOM 384 C HIS A 27 -6.591 -12.820 -2.224 1.00 0.00 C ATOM 385 O HIS A 27 -5.468 -13.286 -2.059 1.00 0.00 O ATOM 386 CB HIS A 27 -7.394 -10.379 -2.409 1.00 0.00 C ATOM 387 CG HIS A 27 -6.267 -9.630 -3.080 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.382 -8.380 -3.633 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.984 -10.050 -3.292 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.188 -8.060 -4.156 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.287 -9.036 -3.952 1.00 0.00 N ATOM 0 H HIS A 27 -5.154 -10.830 -0.955 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.973 -11.790 -0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.056 -10.753 -3.190 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.967 -9.662 -1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.577 -11.006 -2.998 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.978 -7.136 -4.675 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.303 -9.036 -4.222 1.00 0.00 H new ATOM 399 N GLU A 28 -7.449 -13.405 -3.037 1.00 0.00 N ATOM 400 CA GLU A 28 -7.268 -14.774 -3.522 1.00 0.00 C ATOM 401 C GLU A 28 -6.697 -14.800 -4.939 1.00 0.00 C ATOM 402 O GLU A 28 -7.287 -15.382 -5.846 1.00 0.00 O ATOM 403 CB GLU A 28 -8.546 -15.605 -3.328 1.00 0.00 C ATOM 404 CG GLU A 28 -8.204 -17.102 -3.387 1.00 0.00 C ATOM 405 CD GLU A 28 -9.420 -17.968 -3.099 1.00 0.00 C ATOM 406 OE1 GLU A 28 -9.828 -18.044 -1.914 1.00 0.00 O ATOM 407 OE2 GLU A 28 -9.934 -18.606 -4.047 1.00 0.00 O ATOM 0 H GLU A 28 -8.294 -12.951 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.511 -15.265 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.006 -15.365 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.273 -15.357 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.808 -17.346 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.419 -17.325 -2.664 1.00 0.00 H new ATOM 414 N GLY A 29 -5.526 -14.183 -5.127 1.00 0.00 N ATOM 415 CA GLY A 29 -4.886 -14.098 -6.437 1.00 0.00 C ATOM 416 C GLY A 29 -5.743 -13.325 -7.445 1.00 0.00 C ATOM 417 O GLY A 29 -6.742 -12.702 -7.071 1.00 0.00 O ATOM 0 H GLY A 29 -5.000 -13.732 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.917 -13.610 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.699 -15.103 -6.815 1.00 0.00 H new ATOM 421 N GLY A 30 -5.328 -13.339 -8.716 1.00 0.00 N ATOM 422 CA GLY A 30 -5.813 -12.409 -9.715 1.00 0.00 C ATOM 423 C GLY A 30 -5.133 -11.071 -9.457 1.00 0.00 C ATOM 424 O GLY A 30 -4.808 -10.742 -8.319 1.00 0.00 O ATOM 0 H GLY A 30 -4.642 -14.004 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.584 -12.769 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.896 -12.308 -9.652 1.00 0.00 H new ATOM 428 N ASP A 31 -4.886 -10.299 -10.508 1.00 0.00 N ATOM 429 CA ASP A 31 -4.549 -8.887 -10.363 1.00 0.00 C ATOM 430 C ASP A 31 -5.779 -8.087 -9.973 1.00 0.00 C ATOM 431 O ASP A 31 -6.912 -8.425 -10.338 1.00 0.00 O ATOM 432 CB ASP A 31 -3.901 -8.285 -11.599 1.00 0.00 C ATOM 433 CG ASP A 31 -4.806 -8.386 -12.817 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.831 -9.463 -13.453 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.494 -7.406 -13.171 1.00 0.00 O ATOM 0 H ASP A 31 -4.913 -10.628 -11.473 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.804 -8.833 -9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.661 -7.239 -11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.960 -8.797 -11.802 1.00 0.00 H new ATOM 440 N VAL A 32 -5.564 -7.006 -9.229 1.00 0.00 N ATOM 441 CA VAL A 32 -6.638 -6.355 -8.494 1.00 0.00 C ATOM 442 C VAL A 32 -6.155 -4.950 -8.251 1.00 0.00 C ATOM 443 O VAL A 32 -5.017 -4.793 -7.838 1.00 0.00 O ATOM 444 CB VAL A 32 -6.887 -7.074 -7.157 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.856 -6.326 -6.225 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.416 -8.512 -7.267 1.00 0.00 C ATOM 0 H VAL A 32 -4.652 -6.563 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.578 -6.374 -9.045 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.880 -7.096 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.983 -6.892 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.451 -5.341 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.822 -6.214 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.557 -8.925 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.369 -8.510 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.698 -9.123 -7.815 1.00 0.00 H new ATOM 456 N PRO A 33 -6.962 -3.925 -8.503 1.00 0.00 N ATOM 457 CA PRO A 33 -6.502 -2.565 -8.429 1.00 0.00 C ATOM 458 C PRO A 33 -6.338 -2.143 -6.977 1.00 0.00 C ATOM 459 O PRO A 33 -7.035 -2.617 -6.062 1.00 0.00 O ATOM 460 CB PRO A 33 -7.555 -1.769 -9.196 1.00 0.00 C ATOM 461 CG PRO A 33 -8.822 -2.528 -8.826 1.00 0.00 C ATOM 462 CD PRO A 33 -8.362 -3.985 -8.843 1.00 0.00 C ATOM 0 HA PRO A 33 -5.517 -2.404 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.593 -0.726 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.372 -1.772 -10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.198 -2.234 -7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.624 -2.349 -9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.920 -4.586 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.514 -4.438 -9.823 1.00 0.00 H new ATOM 470 N LEU A 34 -5.457 -1.160 -6.792 1.00 0.00 N ATOM 471 CA LEU A 34 -5.220 -0.583 -5.485 1.00 0.00 C ATOM 472 C LEU A 34 -6.532 -0.099 -4.835 1.00 0.00 C ATOM 473 O LEU A 34 -6.691 -0.271 -3.634 1.00 0.00 O ATOM 474 CB LEU A 34 -3.961 0.303 -5.474 1.00 0.00 C ATOM 475 CG LEU A 34 -4.035 1.772 -5.899 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.616 2.346 -5.962 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.714 1.961 -7.254 1.00 0.00 C ATOM 0 H LEU A 34 -4.897 -0.750 -7.540 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.918 -1.337 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.563 0.282 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.224 -0.180 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.638 2.297 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.660 3.392 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.149 2.271 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.028 1.783 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.738 3.022 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.156 1.420 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.733 1.576 -7.207 1.00 0.00 H new ATOM 489 N VAL A 35 -7.541 0.326 -5.612 1.00 0.00 N ATOM 490 CA VAL A 35 -8.874 0.710 -5.125 1.00 0.00 C ATOM 491 C VAL A 35 -9.737 -0.428 -4.618 1.00 0.00 C ATOM 492 O VAL A 35 -10.598 -0.157 -3.787 1.00 0.00 O ATOM 493 CB VAL A 35 -9.611 1.555 -6.193 1.00 0.00 C ATOM 494 CG1 VAL A 35 -10.089 0.711 -7.376 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.783 2.363 -5.612 1.00 0.00 C ATOM 0 H VAL A 35 -7.449 0.414 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.694 1.314 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.868 2.264 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.599 1.350 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.232 0.237 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.777 -0.057 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.260 2.935 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.509 1.682 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.411 3.045 -4.848 1.00 0.00 H new ATOM 505 N GLU A 36 -9.535 -1.666 -5.051 1.00 0.00 N ATOM 506 CA GLU A 36 -10.294 -2.768 -4.493 1.00 0.00 C ATOM 507 C GLU A 36 -9.523 -3.336 -3.312 1.00 0.00 C ATOM 508 O GLU A 36 -10.118 -3.537 -2.258 1.00 0.00 O ATOM 509 CB GLU A 36 -10.586 -3.840 -5.551 1.00 0.00 C ATOM 510 CG GLU A 36 -11.527 -3.418 -6.696 1.00 0.00 C ATOM 511 CD GLU A 36 -12.855 -2.809 -6.256 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.682 -3.498 -5.607 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.103 -1.618 -6.570 1.00 0.00 O ATOM 0 H GLU A 36 -8.864 -1.926 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.264 -2.408 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.639 -4.162 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.019 -4.707 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.006 -2.697 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.734 -4.291 -7.315 1.00 0.00 H new ATOM 520 N LEU A 37 -8.202 -3.525 -3.415 1.00 0.00 N ATOM 521 CA LEU A 37 -7.457 -4.224 -2.377 1.00 0.00 C ATOM 522 C LEU A 37 -7.316 -3.334 -1.176 1.00 0.00 C ATOM 523 O LEU A 37 -7.245 -3.881 -0.088 1.00 0.00 O ATOM 524 CB LEU A 37 -6.090 -4.727 -2.874 1.00 0.00 C ATOM 525 CG LEU A 37 -5.133 -3.607 -3.319 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.228 -3.009 -2.233 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.231 -4.116 -4.438 1.00 0.00 C ATOM 0 H LEU A 37 -7.637 -3.205 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.019 -5.115 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.615 -5.301 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.248 -5.409 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.801 -2.805 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.601 -2.231 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.843 -2.579 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.596 -3.792 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.555 -3.320 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.650 -4.966 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.842 -4.426 -5.285 1.00 0.00 H new ATOM 539 N LEU A 38 -7.301 -2.002 -1.310 1.00 0.00 N ATOM 540 CA LEU A 38 -7.119 -1.164 -0.160 1.00 0.00 C ATOM 541 C LEU A 38 -8.467 -0.953 0.531 1.00 0.00 C ATOM 542 O LEU A 38 -8.533 -0.858 1.752 1.00 0.00 O ATOM 543 CB LEU A 38 -6.288 0.099 -0.470 1.00 0.00 C ATOM 544 CG LEU A 38 -7.019 1.452 -0.501 1.00 0.00 C ATOM 545 CD1 LEU A 38 -5.975 2.573 -0.519 1.00 0.00 C ATOM 546 CD2 LEU A 38 -7.930 1.699 -1.696 1.00 0.00 C ATOM 0 H LEU A 38 -7.412 -1.506 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.490 -1.662 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.492 0.166 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.810 -0.045 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.655 1.436 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.479 3.539 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.355 2.507 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.347 2.471 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.389 2.684 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.345 1.653 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.709 0.937 -1.723 1.00 0.00 H new ATOM 558 N VAL A 39 -9.562 -0.946 -0.226 1.00 0.00 N ATOM 559 CA VAL A 39 -10.915 -0.917 0.312 1.00 0.00 C ATOM 560 C VAL A 39 -11.147 -2.214 1.084 1.00 0.00 C ATOM 561 O VAL A 39 -11.542 -2.153 2.245 1.00 0.00 O ATOM 562 CB VAL A 39 -11.873 -0.714 -0.874 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.244 -1.402 -0.758 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.100 0.760 -1.195 1.00 0.00 C ATOM 0 H VAL A 39 -9.531 -0.961 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.086 -0.101 1.015 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.340 -1.208 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.834 -1.190 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.104 -2.479 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.767 -1.025 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.783 0.847 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.530 1.259 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.149 1.228 -1.448 1.00 0.00 H new ATOM 574 N SER A 40 -10.870 -3.355 0.451 1.00 0.00 N ATOM 575 CA SER A 40 -11.054 -4.682 1.004 1.00 0.00 C ATOM 576 C SER A 40 -10.090 -4.901 2.168 1.00 0.00 C ATOM 577 O SER A 40 -10.480 -5.515 3.162 1.00 0.00 O ATOM 578 CB SER A 40 -10.846 -5.714 -0.112 1.00 0.00 C ATOM 579 OG SER A 40 -11.535 -6.915 0.148 1.00 0.00 O ATOM 0 H SER A 40 -10.497 -3.372 -0.498 1.00 0.00 H new ATOM 0 HA SER A 40 -12.065 -4.795 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.187 -5.298 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.782 -5.922 -0.220 1.00 0.00 H new ATOM 0 HG SER A 40 -10.941 -7.538 0.616 1.00 0.00 H new ATOM 585 N ALA A 41 -8.873 -4.339 2.101 1.00 0.00 N ATOM 586 CA ALA A 41 -7.941 -4.485 3.213 1.00 0.00 C ATOM 587 C ALA A 41 -8.298 -3.526 4.347 1.00 0.00 C ATOM 588 O ALA A 41 -7.837 -3.715 5.471 1.00 0.00 O ATOM 589 CB ALA A 41 -6.501 -4.275 2.738 1.00 0.00 C ATOM 0 H ALA A 41 -8.525 -3.796 1.311 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.021 -5.501 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.820 -4.388 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.258 -5.014 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.398 -3.274 2.320 1.00 0.00 H new ATOM 595 N GLY A 42 -9.131 -2.515 4.092 1.00 0.00 N ATOM 596 CA GLY A 42 -9.753 -1.717 5.137 1.00 0.00 C ATOM 597 C GLY A 42 -8.945 -0.460 5.392 1.00 0.00 C ATOM 598 O GLY A 42 -9.046 0.169 6.443 1.00 0.00 O ATOM 0 H GLY A 42 -9.391 -2.230 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.769 -1.451 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.828 -2.301 6.054 1.00 0.00 H new ATOM 602 N ILE A 43 -8.178 -0.065 4.383 1.00 0.00 N ATOM 603 CA ILE A 43 -7.308 1.077 4.386 1.00 0.00 C ATOM 604 C ILE A 43 -8.249 2.271 4.178 1.00 0.00 C ATOM 605 O ILE A 43 -8.111 3.252 4.911 1.00 0.00 O ATOM 606 CB ILE A 43 -6.271 0.921 3.242 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.291 -0.293 3.231 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.459 2.223 3.126 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.296 -1.205 4.464 1.00 0.00 C ATOM 0 H ILE A 43 -8.154 -0.570 3.497 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.731 1.200 5.302 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.909 0.701 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.519 -0.904 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.279 0.090 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.727 2.125 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.131 3.052 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.944 2.415 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.571 -2.007 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.031 -0.624 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.290 -1.633 4.596 1.00 0.00 H new ATOM 621 N SER A 44 -9.232 2.188 3.258 1.00 0.00 N ATOM 622 CA SER A 44 -10.280 3.196 3.123 1.00 0.00 C ATOM 623 C SER A 44 -11.478 2.532 2.460 1.00 0.00 C ATOM 624 O SER A 44 -11.445 2.366 1.251 1.00 0.00 O ATOM 625 CB SER A 44 -9.778 4.355 2.258 1.00 0.00 C ATOM 626 OG SER A 44 -8.943 5.216 2.993 1.00 0.00 O ATOM 0 H SER A 44 -9.313 1.418 2.594 1.00 0.00 H new ATOM 0 HA SER A 44 -10.558 3.593 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.233 3.962 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.628 4.915 1.867 1.00 0.00 H new ATOM 0 HG SER A 44 -9.468 5.669 3.685 1.00 0.00 H new ATOM 632 N PRO A 45 -12.535 2.140 3.189 1.00 0.00 N ATOM 633 CA PRO A 45 -13.636 1.382 2.601 1.00 0.00 C ATOM 634 C PRO A 45 -14.630 2.254 1.823 1.00 0.00 C ATOM 635 O PRO A 45 -15.408 1.752 1.015 1.00 0.00 O ATOM 636 CB PRO A 45 -14.312 0.710 3.796 1.00 0.00 C ATOM 637 CG PRO A 45 -14.083 1.696 4.943 1.00 0.00 C ATOM 638 CD PRO A 45 -12.719 2.308 4.622 1.00 0.00 C ATOM 0 HA PRO A 45 -13.268 0.673 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.374 0.546 3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.871 -0.263 4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.864 2.455 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.079 1.193 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.689 3.362 4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.926 1.809 5.179 1.00 0.00 H new ATOM 646 N SER A 46 -14.637 3.566 2.062 1.00 0.00 N ATOM 647 CA SER A 46 -15.607 4.464 1.461 1.00 0.00 C ATOM 648 C SER A 46 -15.027 4.858 0.116 1.00 0.00 C ATOM 649 O SER A 46 -14.051 5.601 0.103 1.00 0.00 O ATOM 650 CB SER A 46 -15.860 5.649 2.386 1.00 0.00 C ATOM 651 OG SER A 46 -16.744 6.585 1.802 1.00 0.00 O ATOM 0 H SER A 46 -13.969 4.029 2.678 1.00 0.00 H new ATOM 0 HA SER A 46 -16.583 4.002 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.276 5.293 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.914 6.138 2.620 1.00 0.00 H new ATOM 0 HG SER A 46 -16.886 7.331 2.421 1.00 0.00 H new ATOM 657 N LYS A 47 -15.546 4.347 -1.005 1.00 0.00 N ATOM 658 CA LYS A 47 -14.824 4.416 -2.280 1.00 0.00 C ATOM 659 C LYS A 47 -14.435 5.824 -2.756 1.00 0.00 C ATOM 660 O LYS A 47 -13.460 5.933 -3.489 1.00 0.00 O ATOM 661 CB LYS A 47 -15.507 3.576 -3.378 1.00 0.00 C ATOM 662 CG LYS A 47 -15.425 2.073 -3.040 1.00 0.00 C ATOM 663 CD LYS A 47 -15.573 1.144 -4.256 1.00 0.00 C ATOM 664 CE LYS A 47 -15.191 -0.282 -3.828 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.173 -1.248 -4.943 1.00 0.00 N ATOM 0 H LYS A 47 -16.454 3.885 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.859 3.957 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.550 3.876 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.028 3.765 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.468 1.872 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.203 1.832 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.597 1.167 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.931 1.480 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.206 -0.261 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.896 -0.626 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.892 -2.184 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.122 -1.309 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.493 -0.933 -5.664 1.00 0.00 H new ATOM 679 N ARG A 48 -15.077 6.918 -2.325 1.00 0.00 N ATOM 680 CA ARG A 48 -14.560 8.273 -2.602 1.00 0.00 C ATOM 681 C ARG A 48 -13.317 8.573 -1.756 1.00 0.00 C ATOM 682 O ARG A 48 -12.324 9.131 -2.248 1.00 0.00 O ATOM 683 CB ARG A 48 -15.673 9.316 -2.377 1.00 0.00 C ATOM 684 CG ARG A 48 -15.240 10.763 -2.702 1.00 0.00 C ATOM 685 CD ARG A 48 -14.799 11.535 -1.448 1.00 0.00 C ATOM 686 NE ARG A 48 -14.195 12.842 -1.765 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.880 13.116 -1.783 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.973 12.151 -1.730 1.00 0.00 N ATOM 689 NH2 ARG A 48 -12.445 14.368 -1.841 1.00 0.00 N ATOM 0 H ARG A 48 -15.945 6.897 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.252 8.327 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.533 9.056 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.000 9.268 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.420 10.742 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.067 11.289 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.661 11.686 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.081 10.934 -0.890 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.832 13.606 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.268 11.176 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.980 12.383 -1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.112 15.139 -1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.443 14.560 -1.854 1.00 0.00 H new ATOM 703 N GLN A 49 -13.395 8.250 -0.460 1.00 0.00 N ATOM 704 CA GLN A 49 -12.264 8.388 0.440 1.00 0.00 C ATOM 705 C GLN A 49 -11.147 7.565 -0.143 1.00 0.00 C ATOM 706 O GLN A 49 -10.089 8.124 -0.363 1.00 0.00 O ATOM 707 CB GLN A 49 -12.611 7.902 1.861 1.00 0.00 C ATOM 708 CG GLN A 49 -11.844 8.628 2.979 1.00 0.00 C ATOM 709 CD GLN A 49 -10.455 8.048 3.243 1.00 0.00 C ATOM 710 OE1 GLN A 49 -10.306 7.171 4.086 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.429 8.477 2.529 1.00 0.00 N ATOM 0 H GLN A 49 -14.240 7.889 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.977 9.436 0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.681 8.031 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.405 6.834 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.745 9.681 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.428 8.583 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.564 9.207 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.502 8.078 2.677 1.00 0.00 H new ATOM 720 N ALA A 50 -11.432 6.299 -0.452 1.00 0.00 N ATOM 721 CA ALA A 50 -10.520 5.368 -1.059 1.00 0.00 C ATOM 722 C ALA A 50 -9.879 5.976 -2.291 1.00 0.00 C ATOM 723 O ALA A 50 -8.663 6.006 -2.384 1.00 0.00 O ATOM 724 CB ALA A 50 -11.248 4.081 -1.439 1.00 0.00 C ATOM 0 H ALA A 50 -12.349 5.891 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.740 5.135 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.544 3.386 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.675 3.627 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.045 4.309 -2.147 1.00 0.00 H new ATOM 730 N ARG A 51 -10.692 6.485 -3.222 1.00 0.00 N ATOM 731 CA ARG A 51 -10.180 7.050 -4.452 1.00 0.00 C ATOM 732 C ARG A 51 -9.198 8.169 -4.171 1.00 0.00 C ATOM 733 O ARG A 51 -8.182 8.207 -4.850 1.00 0.00 O ATOM 734 CB ARG A 51 -11.312 7.421 -5.421 1.00 0.00 C ATOM 735 CG ARG A 51 -10.767 7.827 -6.800 1.00 0.00 C ATOM 736 CD ARG A 51 -11.869 7.967 -7.858 1.00 0.00 C ATOM 737 NE ARG A 51 -12.437 6.663 -8.268 1.00 0.00 N ATOM 738 CZ ARG A 51 -12.611 6.212 -9.522 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.139 6.865 -10.578 1.00 0.00 N ATOM 740 NH2 ARG A 51 -13.285 5.088 -9.718 1.00 0.00 N ATOM 0 H ARG A 51 -11.708 6.512 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.606 6.286 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.989 6.574 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.895 8.242 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.234 8.773 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.043 7.083 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.666 8.598 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.464 8.474 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.728 6.038 -7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.626 7.737 -10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.289 6.494 -11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.665 4.576 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.424 4.735 -10.665 1.00 0.00 H new ATOM 754 N GLU A 52 -9.416 9.010 -3.159 1.00 0.00 N ATOM 755 CA GLU A 52 -8.359 9.999 -2.879 1.00 0.00 C ATOM 756 C GLU A 52 -7.234 9.450 -1.993 1.00 0.00 C ATOM 757 O GLU A 52 -6.092 9.893 -2.087 1.00 0.00 O ATOM 758 CB GLU A 52 -8.967 11.283 -2.335 1.00 0.00 C ATOM 759 CG GLU A 52 -7.939 12.424 -2.300 1.00 0.00 C ATOM 760 CD GLU A 52 -8.563 13.786 -2.001 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.779 13.831 -1.682 1.00 0.00 O ATOM 762 OE2 GLU A 52 -7.812 14.781 -2.103 1.00 0.00 O ATOM 0 H GLU A 52 -10.241 9.037 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.872 10.234 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.815 11.575 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.351 11.107 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.186 12.203 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.424 12.470 -3.259 1.00 0.00 H new ATOM 769 N ASP A 53 -7.512 8.432 -1.183 1.00 0.00 N ATOM 770 CA ASP A 53 -6.515 7.702 -0.404 1.00 0.00 C ATOM 771 C ASP A 53 -5.505 7.013 -1.277 1.00 0.00 C ATOM 772 O ASP A 53 -4.396 6.743 -0.831 1.00 0.00 O ATOM 773 CB ASP A 53 -7.177 6.632 0.482 1.00 0.00 C ATOM 774 CG ASP A 53 -6.575 6.579 1.871 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.742 7.569 2.624 1.00 0.00 O ATOM 776 OD2 ASP A 53 -5.957 5.575 2.274 1.00 0.00 O ATOM 0 H ASP A 53 -8.461 8.083 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.012 8.449 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.245 6.838 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.074 5.656 0.007 1.00 0.00 H new ATOM 781 N ILE A 54 -5.913 6.761 -2.508 1.00 0.00 N ATOM 782 CA ILE A 54 -5.099 6.336 -3.591 1.00 0.00 C ATOM 783 C ILE A 54 -4.506 7.566 -4.213 1.00 0.00 C ATOM 784 O ILE A 54 -3.304 7.677 -4.160 1.00 0.00 O ATOM 785 CB ILE A 54 -5.946 5.544 -4.588 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.476 4.275 -3.909 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.198 5.223 -5.887 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.642 3.731 -4.713 1.00 0.00 C ATOM 0 H ILE A 54 -6.892 6.860 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.297 5.677 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.787 6.170 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.686 3.528 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.793 4.498 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.851 4.660 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.897 6.151 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.313 4.629 -5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.024 2.828 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.433 4.479 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.308 3.494 -5.723 1.00 0.00 H new ATOM 800 N GLN A 55 -5.302 8.473 -4.785 1.00 0.00 N ATOM 801 CA GLN A 55 -4.831 9.507 -5.690 1.00 0.00 C ATOM 802 C GLN A 55 -3.933 10.528 -5.003 1.00 0.00 C ATOM 803 O GLN A 55 -3.370 11.388 -5.682 1.00 0.00 O ATOM 804 CB GLN A 55 -6.013 10.166 -6.402 1.00 0.00 C ATOM 805 CG GLN A 55 -6.595 9.219 -7.462 1.00 0.00 C ATOM 806 CD GLN A 55 -7.678 9.898 -8.291 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.649 10.442 -7.778 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.548 9.873 -9.606 1.00 0.00 N ATOM 0 H GLN A 55 -6.309 8.504 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.204 9.026 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.783 10.427 -5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.690 11.095 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.797 8.874 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.010 8.337 -6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.739 9.419 -10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.257 10.307 -10.197 1.00 0.00 H new ATOM 817 N ASN A 56 -3.760 10.445 -3.684 1.00 0.00 N ATOM 818 CA ASN A 56 -2.697 11.135 -2.996 1.00 0.00 C ATOM 819 C ASN A 56 -1.369 10.419 -3.060 1.00 0.00 C ATOM 820 O ASN A 56 -1.222 9.308 -2.575 1.00 0.00 O ATOM 821 CB ASN A 56 -3.042 11.254 -1.494 1.00 0.00 C ATOM 822 CG ASN A 56 -4.160 12.198 -1.065 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.589 12.139 0.090 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.590 13.120 -1.908 1.00 0.00 N ATOM 0 H ASN A 56 -4.361 9.893 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.608 12.100 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.297 10.257 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.135 11.559 -0.971 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.289 13.799 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.223 13.152 -2.859 1.00 0.00 H new ATOM 831 N GLY A 57 -0.323 11.167 -3.395 1.00 0.00 N ATOM 832 CA GLY A 57 1.071 10.787 -3.222 1.00 0.00 C ATOM 833 C GLY A 57 1.501 10.528 -1.770 1.00 0.00 C ATOM 834 O GLY A 57 2.689 10.412 -1.481 1.00 0.00 O ATOM 0 H GLY A 57 -0.430 12.092 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.261 9.887 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.700 11.575 -3.636 1.00 0.00 H new ATOM 838 N ALA A 58 0.551 10.453 -0.841 1.00 0.00 N ATOM 839 CA ALA A 58 0.723 9.937 0.497 1.00 0.00 C ATOM 840 C ALA A 58 0.705 8.411 0.554 1.00 0.00 C ATOM 841 O ALA A 58 1.013 7.904 1.629 1.00 0.00 O ATOM 842 CB ALA A 58 -0.407 10.479 1.367 1.00 0.00 C ATOM 0 H ALA A 58 -0.403 10.768 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 58 1.701 10.259 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.297 10.101 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.367 11.568 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.366 10.155 0.962 1.00 0.00 H new ATOM 848 N ILE A 59 0.296 7.684 -0.498 1.00 0.00 N ATOM 849 CA ILE A 59 0.300 6.221 -0.559 1.00 0.00 C ATOM 850 C ILE A 59 1.537 5.792 -1.340 1.00 0.00 C ATOM 851 O ILE A 59 1.619 5.691 -2.572 1.00 0.00 O ATOM 852 CB ILE A 59 -1.111 5.795 -0.925 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.668 4.418 -0.620 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.680 6.435 -2.177 1.00 0.00 C ATOM 855 CD1 ILE A 59 -1.240 3.429 -1.651 1.00 0.00 C ATOM 0 H ILE A 59 -0.056 8.115 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 59 0.456 5.656 0.360 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.541 6.269 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.328 4.094 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.756 4.462 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.690 6.063 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.708 7.517 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.051 6.185 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.653 2.450 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.602 3.744 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.152 3.370 -1.669 1.00 0.00 H new ATOM 867 N TYR A 60 2.567 5.670 -0.514 1.00 0.00 N ATOM 868 CA TYR A 60 3.868 5.164 -0.819 1.00 0.00 C ATOM 869 C TYR A 60 3.756 3.649 -0.823 1.00 0.00 C ATOM 870 O TYR A 60 3.749 3.023 0.236 1.00 0.00 O ATOM 871 CB TYR A 60 4.863 5.684 0.219 1.00 0.00 C ATOM 872 CG TYR A 60 4.977 7.184 0.396 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.879 7.921 -0.390 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.270 7.824 1.434 1.00 0.00 C ATOM 875 CE1 TYR A 60 6.133 9.271 -0.100 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.524 9.171 1.736 1.00 0.00 C ATOM 877 CZ TYR A 60 5.485 9.890 0.988 1.00 0.00 C ATOM 878 OH TYR A 60 5.837 11.150 1.361 1.00 0.00 O ATOM 0 H TYR A 60 2.492 5.950 0.464 1.00 0.00 H new ATOM 0 HA TYR A 60 4.232 5.495 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.598 5.252 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.850 5.301 -0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.379 7.447 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.530 7.276 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.824 9.834 -0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.987 9.657 2.537 1.00 0.00 H new ATOM 0 HH TYR A 60 5.293 11.428 2.127 1.00 0.00 H new ATOM 888 N VAL A 61 3.634 3.035 -1.990 1.00 0.00 N ATOM 889 CA VAL A 61 3.640 1.583 -2.052 1.00 0.00 C ATOM 890 C VAL A 61 5.113 1.215 -1.941 1.00 0.00 C ATOM 891 O VAL A 61 5.936 1.882 -2.550 1.00 0.00 O ATOM 892 CB VAL A 61 2.985 1.085 -3.354 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.951 1.144 -4.540 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.477 -0.348 -3.176 1.00 0.00 C ATOM 0 H VAL A 61 3.532 3.507 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 61 3.056 1.112 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 61 2.148 1.749 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.448 0.784 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.275 2.173 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.819 0.517 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.016 -0.688 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.312 -1.002 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.740 -0.376 -2.373 1.00 0.00 H new ATOM 904 N ASN A 62 5.503 0.202 -1.172 1.00 0.00 N ATOM 905 CA ASN A 62 6.912 -0.214 -1.075 1.00 0.00 C ATOM 906 C ASN A 62 7.843 0.907 -0.545 1.00 0.00 C ATOM 907 O ASN A 62 9.055 0.708 -0.478 1.00 0.00 O ATOM 908 CB ASN A 62 7.407 -0.802 -2.417 1.00 0.00 C ATOM 909 CG ASN A 62 6.930 -2.193 -2.699 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.611 -2.899 -3.413 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.734 -2.583 -2.274 1.00 0.00 N ATOM 0 H ASN A 62 4.865 -0.353 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 62 6.958 -1.005 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.082 -0.149 -3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.497 -0.797 -2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.368 -3.495 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.181 -1.971 -1.674 1.00 0.00 H new ATOM 918 N GLY A 63 7.318 2.073 -0.145 1.00 0.00 N ATOM 919 CA GLY A 63 8.079 3.267 0.214 1.00 0.00 C ATOM 920 C GLY A 63 8.084 4.353 -0.868 1.00 0.00 C ATOM 921 O GLY A 63 8.601 5.440 -0.610 1.00 0.00 O ATOM 0 H GLY A 63 6.311 2.211 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.667 3.685 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.108 2.978 0.429 1.00 0.00 H new ATOM 925 N GLU A 64 7.463 4.136 -2.031 1.00 0.00 N ATOM 926 CA GLU A 64 7.542 4.998 -3.201 1.00 0.00 C ATOM 927 C GLU A 64 6.134 5.405 -3.612 1.00 0.00 C ATOM 928 O GLU A 64 5.218 4.589 -3.675 1.00 0.00 O ATOM 929 CB GLU A 64 8.317 4.325 -4.340 1.00 0.00 C ATOM 930 CG GLU A 64 7.908 2.894 -4.711 1.00 0.00 C ATOM 931 CD GLU A 64 8.790 2.370 -5.839 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.821 2.978 -6.934 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.556 1.408 -5.606 1.00 0.00 O ATOM 0 H GLU A 64 6.869 3.321 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 64 8.102 5.900 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.219 4.947 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.373 4.317 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.996 2.245 -3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.862 2.875 -5.018 1.00 0.00 H new ATOM 940 N ARG A 65 5.935 6.706 -3.787 1.00 0.00 N ATOM 941 CA ARG A 65 4.646 7.341 -4.008 1.00 0.00 C ATOM 942 C ARG A 65 4.077 6.827 -5.321 1.00 0.00 C ATOM 943 O ARG A 65 4.618 7.171 -6.371 1.00 0.00 O ATOM 944 CB ARG A 65 4.899 8.864 -3.988 1.00 0.00 C ATOM 945 CG ARG A 65 3.820 9.725 -4.655 1.00 0.00 C ATOM 946 CD ARG A 65 4.283 10.316 -5.995 1.00 0.00 C ATOM 947 NE ARG A 65 3.163 10.849 -6.788 1.00 0.00 N ATOM 948 CZ ARG A 65 2.903 10.580 -8.074 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.676 9.783 -8.805 1.00 0.00 N ATOM 950 NH2 ARG A 65 1.819 11.101 -8.622 1.00 0.00 N ATOM 0 H ARG A 65 6.704 7.376 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 65 3.905 7.109 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.003 9.183 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.851 9.062 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.927 9.121 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.539 10.535 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.004 11.112 -5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.799 9.547 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 65 2.523 11.485 -6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.501 9.351 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.444 9.603 -9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.202 11.694 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.600 10.910 -9.600 1.00 0.00 H new ATOM 964 N LEU A 66 3.011 6.023 -5.289 1.00 0.00 N ATOM 965 CA LEU A 66 2.492 5.398 -6.504 1.00 0.00 C ATOM 966 C LEU A 66 0.956 5.397 -6.450 1.00 0.00 C ATOM 967 O LEU A 66 0.312 4.372 -6.276 1.00 0.00 O ATOM 968 CB LEU A 66 3.164 4.027 -6.696 1.00 0.00 C ATOM 969 CG LEU A 66 4.609 4.058 -7.264 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.088 2.636 -7.552 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.795 4.813 -8.588 1.00 0.00 C ATOM 0 H LEU A 66 2.495 5.792 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 66 2.744 5.960 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.182 3.514 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.544 3.429 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 66 5.171 4.578 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.102 2.667 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.078 2.055 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.426 2.170 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.842 4.769 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.177 4.353 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.499 5.854 -8.458 1.00 0.00 H new ATOM 983 N GLN A 67 0.358 6.583 -6.581 1.00 0.00 N ATOM 984 CA GLN A 67 -1.064 6.869 -6.363 1.00 0.00 C ATOM 985 C GLN A 67 -2.024 6.474 -7.509 1.00 0.00 C ATOM 986 O GLN A 67 -3.019 7.166 -7.722 1.00 0.00 O ATOM 987 CB GLN A 67 -1.229 8.347 -5.909 1.00 0.00 C ATOM 988 CG GLN A 67 -0.658 9.587 -6.579 1.00 0.00 C ATOM 989 CD GLN A 67 -0.872 9.720 -8.089 1.00 0.00 C ATOM 990 OE1 GLN A 67 -0.484 8.755 -8.903 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 -1.368 10.745 -8.553 1.00 0.00 N flip ATOM 0 H GLN A 67 0.880 7.415 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.388 6.201 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.305 8.515 -5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.857 8.376 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.092 10.463 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.414 9.614 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.669 11.493 -7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.478 10.847 -9.562 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.761 5.412 -8.283 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.615 5.055 -9.421 1.00 0.00 C ATOM 1002 C ASP A 68 -2.798 3.551 -9.663 1.00 0.00 C ATOM 1003 O ASP A 68 -1.972 2.736 -9.266 1.00 0.00 O ATOM 1004 CB ASP A 68 -2.024 5.706 -10.669 1.00 0.00 C ATOM 1005 CG ASP A 68 -3.003 5.638 -11.838 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -4.204 5.929 -11.644 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.601 5.202 -12.938 1.00 0.00 O ATOM 0 H ASP A 68 -0.967 4.788 -8.142 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.615 5.420 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.776 6.746 -10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.094 5.205 -10.939 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.864 3.195 -10.383 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.207 1.857 -10.893 1.00 0.00 C ATOM 1014 C VAL A 69 -3.226 1.402 -11.980 1.00 0.00 C ATOM 1015 O VAL A 69 -2.975 0.208 -12.121 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.667 1.882 -11.344 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -6.189 0.574 -11.946 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.636 2.287 -10.214 1.00 0.00 C ATOM 0 H VAL A 69 -4.567 3.885 -10.647 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.108 1.107 -10.108 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.650 2.636 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.233 0.697 -12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.598 0.317 -12.825 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.107 -0.224 -11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.658 2.287 -10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.554 1.576 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.382 3.285 -9.857 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.611 2.332 -12.711 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.492 2.044 -13.593 1.00 0.00 C ATOM 1030 C GLY A 70 -0.162 2.027 -12.860 1.00 0.00 C ATOM 1031 O GLY A 70 0.862 1.665 -13.436 1.00 0.00 O ATOM 0 H GLY A 70 -2.883 3.315 -12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.651 1.078 -14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.457 2.791 -14.386 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.163 2.419 -11.588 1.00 0.00 N ATOM 1036 CA ALA A 71 0.988 2.265 -10.734 1.00 0.00 C ATOM 1037 C ALA A 71 0.943 0.870 -10.116 1.00 0.00 C ATOM 1038 O ALA A 71 1.885 0.109 -10.341 1.00 0.00 O ATOM 1039 CB ALA A 71 1.110 3.408 -9.732 1.00 0.00 C ATOM 0 H ALA A 71 -0.966 2.851 -11.131 1.00 0.00 H new ATOM 0 HA ALA A 71 1.909 2.336 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.990 3.253 -9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.207 4.352 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.220 3.437 -9.103 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.117 0.478 -9.388 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.217 -0.853 -8.792 1.00 0.00 C ATOM 1047 C ILE A 72 -1.594 -1.495 -8.963 1.00 0.00 C ATOM 1048 O ILE A 72 -2.629 -0.861 -8.730 1.00 0.00 O ATOM 1049 CB ILE A 72 0.147 -0.828 -7.299 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.299 0.135 -6.972 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.557 -2.235 -6.818 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.777 1.383 -6.256 1.00 0.00 C ATOM 0 H ILE A 72 -0.922 1.076 -9.200 1.00 0.00 H new ATOM 0 HA ILE A 72 0.502 -1.465 -9.337 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.749 -0.481 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.034 -0.369 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.809 0.424 -7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.811 -2.198 -5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.272 -2.927 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.422 -2.576 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.610 2.050 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.061 1.897 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.288 1.091 -5.326 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.571 -2.789 -9.295 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.668 -3.703 -9.187 1.00 0.00 C ATOM 1066 C LEU A 73 -2.205 -4.559 -8.006 1.00 0.00 C ATOM 1067 O LEU A 73 -2.416 -4.170 -6.861 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.976 -4.419 -10.511 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.388 -3.423 -11.618 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.552 -4.138 -12.956 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.671 -2.649 -11.335 1.00 0.00 C ATOM 0 H LEU A 73 -0.731 -3.233 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.649 -3.266 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.099 -4.979 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.777 -5.142 -10.356 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.573 -2.700 -11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.842 -3.417 -13.720 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.608 -4.605 -13.237 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.323 -4.903 -12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.880 -1.975 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.499 -3.348 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.552 -2.070 -10.419 1.00 0.00 H new ATOM 1083 N THR A 74 -1.427 -5.613 -8.236 1.00 0.00 N ATOM 1084 CA THR A 74 -1.107 -6.614 -7.225 1.00 0.00 C ATOM 1085 C THR A 74 0.374 -6.664 -6.854 1.00 0.00 C ATOM 1086 O THR A 74 1.182 -5.844 -7.288 1.00 0.00 O ATOM 1087 CB THR A 74 -1.634 -7.969 -7.718 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.658 -8.010 -9.134 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.033 -8.139 -7.141 1.00 0.00 C ATOM 0 H THR A 74 -0.996 -5.797 -9.142 1.00 0.00 H new ATOM 0 HA THR A 74 -1.599 -6.337 -6.292 1.00 0.00 H new ATOM 0 HB THR A 74 -0.985 -8.781 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.519 -8.932 -9.437 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.448 -9.093 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.983 -8.118 -6.052 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.672 -7.327 -7.490 1.00 0.00 H new ATOM 1097 N ALA A 75 0.747 -7.636 -6.020 1.00 0.00 N ATOM 1098 CA ALA A 75 2.107 -7.811 -5.562 1.00 0.00 C ATOM 1099 C ALA A 75 3.125 -7.959 -6.681 1.00 0.00 C ATOM 1100 O ALA A 75 4.136 -7.269 -6.631 1.00 0.00 O ATOM 1101 CB ALA A 75 2.166 -9.013 -4.626 1.00 0.00 C ATOM 0 H ALA A 75 0.098 -8.327 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 75 2.385 -6.897 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.189 -9.152 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.510 -8.842 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.841 -9.906 -5.160 1.00 0.00 H new ATOM 1107 N GLU A 76 2.884 -8.821 -7.669 1.00 0.00 N ATOM 1108 CA GLU A 76 3.781 -8.989 -8.819 1.00 0.00 C ATOM 1109 C GLU A 76 3.742 -7.758 -9.740 1.00 0.00 C ATOM 1110 O GLU A 76 4.634 -7.545 -10.559 1.00 0.00 O ATOM 1111 CB GLU A 76 3.381 -10.279 -9.546 1.00 0.00 C ATOM 1112 CG GLU A 76 4.337 -10.765 -10.641 1.00 0.00 C ATOM 1113 CD GLU A 76 3.594 -11.682 -11.607 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.814 -11.158 -12.444 1.00 0.00 O ATOM 1115 OE2 GLU A 76 3.751 -12.919 -11.548 1.00 0.00 O ATOM 0 H GLU A 76 2.062 -9.424 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 76 4.815 -9.074 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.278 -11.072 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.398 -10.130 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.750 -9.913 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.177 -11.297 -10.194 1.00 0.00 H new ATOM 1122 N HIS A 77 2.732 -6.900 -9.577 1.00 0.00 N ATOM 1123 CA HIS A 77 2.672 -5.626 -10.275 1.00 0.00 C ATOM 1124 C HIS A 77 3.545 -4.587 -9.547 1.00 0.00 C ATOM 1125 O HIS A 77 3.784 -3.499 -10.088 1.00 0.00 O ATOM 1126 CB HIS A 77 1.208 -5.205 -10.382 1.00 0.00 C ATOM 1127 CG HIS A 77 0.933 -4.084 -11.340 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.255 -2.771 -11.129 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.013 -4.121 -12.345 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.459 -2.026 -11.901 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.273 -2.801 -12.712 1.00 0.00 N ATOM 0 H HIS A 77 1.939 -7.073 -8.959 1.00 0.00 H new ATOM 0 HA HIS A 77 3.073 -5.711 -11.285 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.619 -6.071 -10.683 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.858 -4.910 -9.393 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.975 -2.423 -10.495 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.418 -5.010 -12.780 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.412 -0.947 -11.875 1.00 0.00 H new ATOM 1139 N ARG A 78 4.042 -4.875 -8.333 1.00 0.00 N ATOM 1140 CA ARG A 78 4.910 -3.969 -7.598 1.00 0.00 C ATOM 1141 C ARG A 78 6.284 -4.622 -7.478 1.00 0.00 C ATOM 1142 O ARG A 78 7.213 -4.215 -8.174 1.00 0.00 O ATOM 1143 CB ARG A 78 4.241 -3.554 -6.269 1.00 0.00 C ATOM 1144 CG ARG A 78 4.650 -2.187 -5.678 1.00 0.00 C ATOM 1145 CD ARG A 78 6.127 -1.786 -5.829 1.00 0.00 C ATOM 1146 NE ARG A 78 6.474 -1.253 -7.152 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.700 -1.261 -7.689 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.777 -1.550 -6.960 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.820 -1.000 -8.979 1.00 0.00 N ATOM 0 H ARG A 78 3.847 -5.747 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 78 5.066 -3.025 -8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.161 -3.549 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.456 -4.323 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.038 -1.416 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.404 -2.187 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.368 -1.038 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.751 -2.656 -5.625 1.00 0.00 H new ATOM 0 HE ARG A 78 5.721 -0.844 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.678 -1.772 -5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.701 -1.549 -7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.991 -0.799 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.742 -0.999 -9.416 1.00 0.00 H new ATOM 1163 N LEU A 79 6.431 -5.588 -6.575 1.00 0.00 N ATOM 1164 CA LEU A 79 7.632 -6.345 -6.345 1.00 0.00 C ATOM 1165 C LEU A 79 7.620 -7.593 -7.227 1.00 0.00 C ATOM 1166 O LEU A 79 6.744 -7.770 -8.064 1.00 0.00 O ATOM 1167 CB LEU A 79 7.741 -6.641 -4.836 1.00 0.00 C ATOM 1168 CG LEU A 79 6.484 -6.755 -3.946 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.830 -7.536 -2.673 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.081 -5.383 -3.420 1.00 0.00 C ATOM 0 H LEU A 79 5.669 -5.869 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 79 8.526 -5.787 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.287 -7.579 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.366 -5.860 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 79 5.705 -7.222 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.944 -7.617 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.177 -8.534 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.615 -7.013 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.194 -5.479 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.897 -4.965 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.864 -4.721 -4.258 1.00 0.00 H new ATOM 1182 N GLU A 80 8.582 -8.484 -7.000 1.00 0.00 N ATOM 1183 CA GLU A 80 8.775 -9.755 -7.691 1.00 0.00 C ATOM 1184 C GLU A 80 7.521 -10.619 -7.836 1.00 0.00 C ATOM 1185 O GLU A 80 7.476 -11.458 -8.733 1.00 0.00 O ATOM 1186 CB GLU A 80 9.832 -10.542 -6.918 1.00 0.00 C ATOM 1187 CG GLU A 80 9.313 -10.995 -5.539 1.00 0.00 C ATOM 1188 CD GLU A 80 10.464 -11.076 -4.554 1.00 0.00 C ATOM 1189 OE1 GLU A 80 10.901 -9.990 -4.122 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.924 -12.207 -4.265 1.00 0.00 O ATOM 0 H GLU A 80 9.291 -8.327 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 80 9.075 -9.514 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.132 -11.415 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.721 -9.925 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.561 -10.294 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.828 -11.967 -5.625 1.00 0.00 H new ATOM 1197 N GLY A 81 6.549 -10.470 -6.936 1.00 0.00 N ATOM 1198 CA GLY A 81 5.409 -11.329 -6.774 1.00 0.00 C ATOM 1199 C GLY A 81 5.395 -11.972 -5.398 1.00 0.00 C ATOM 1200 O GLY A 81 5.504 -13.190 -5.274 1.00 0.00 O ATOM 0 H GLY A 81 6.550 -9.698 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.494 -10.754 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.423 -12.104 -7.540 1.00 0.00 H new ATOM 1204 N ARG A 82 5.253 -11.154 -4.350 1.00 0.00 N ATOM 1205 CA ARG A 82 5.024 -11.651 -2.993 1.00 0.00 C ATOM 1206 C ARG A 82 3.890 -10.865 -2.364 1.00 0.00 C ATOM 1207 O ARG A 82 2.755 -11.330 -2.353 1.00 0.00 O ATOM 1208 CB ARG A 82 6.320 -11.623 -2.145 1.00 0.00 C ATOM 1209 CG ARG A 82 7.014 -12.982 -2.012 1.00 0.00 C ATOM 1210 CD ARG A 82 6.154 -13.973 -1.211 1.00 0.00 C ATOM 1211 NE ARG A 82 6.889 -15.212 -0.931 1.00 0.00 N ATOM 1212 CZ ARG A 82 7.544 -15.526 0.192 1.00 0.00 C ATOM 1213 NH1 ARG A 82 7.506 -14.719 1.254 1.00 0.00 N ATOM 1214 NH2 ARG A 82 8.242 -16.648 0.243 1.00 0.00 N ATOM 0 H ARG A 82 5.293 -10.137 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 82 4.730 -12.700 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.017 -10.914 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.081 -11.251 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.214 -13.389 -3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.978 -12.854 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.843 -13.512 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.247 -14.204 -1.769 1.00 0.00 H new ATOM 0 HE ARG A 82 6.902 -15.910 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.973 -13.850 1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.010 -14.971 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.277 -17.264 -0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.745 -16.897 1.094 1.00 0.00 H new ATOM 1228 N PHE A 83 4.196 -9.678 -1.850 1.00 0.00 N ATOM 1229 CA PHE A 83 3.314 -8.884 -1.012 1.00 0.00 C ATOM 1230 C PHE A 83 3.207 -7.479 -1.603 1.00 0.00 C ATOM 1231 O PHE A 83 3.620 -7.242 -2.735 1.00 0.00 O ATOM 1232 CB PHE A 83 3.882 -8.859 0.418 1.00 0.00 C ATOM 1233 CG PHE A 83 4.223 -10.190 1.073 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.481 -11.356 0.798 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.265 -10.249 2.020 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.742 -12.552 1.479 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.527 -11.445 2.709 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.750 -12.585 2.449 1.00 0.00 C ATOM 0 H PHE A 83 5.098 -9.230 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 83 2.313 -9.314 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.786 -8.250 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.160 -8.348 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.701 -11.327 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.864 -9.372 2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.170 -13.441 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.324 -11.487 3.437 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.932 -13.495 3.002 1.00 0.00 H new ATOM 1248 N THR A 84 2.678 -6.517 -0.858 1.00 0.00 N ATOM 1249 CA THR A 84 2.789 -5.107 -1.161 1.00 0.00 C ATOM 1250 C THR A 84 2.583 -4.330 0.138 1.00 0.00 C ATOM 1251 O THR A 84 1.592 -4.496 0.845 1.00 0.00 O ATOM 1252 CB THR A 84 1.861 -4.764 -2.344 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.682 -4.613 -3.479 1.00 0.00 O ATOM 1254 CG2 THR A 84 0.998 -3.510 -2.195 1.00 0.00 C ATOM 0 H THR A 84 2.148 -6.706 -0.007 1.00 0.00 H new ATOM 0 HA THR A 84 3.776 -4.811 -1.516 1.00 0.00 H new ATOM 0 HB THR A 84 1.142 -5.581 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.204 -5.431 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.391 -3.377 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.346 -3.618 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.641 -2.640 -2.060 1.00 0.00 H new ATOM 1262 N VAL A 85 3.588 -3.528 0.481 1.00 0.00 N ATOM 1263 CA VAL A 85 3.570 -2.573 1.580 1.00 0.00 C ATOM 1264 C VAL A 85 2.809 -1.352 1.071 1.00 0.00 C ATOM 1265 O VAL A 85 3.177 -0.835 0.016 1.00 0.00 O ATOM 1266 CB VAL A 85 5.032 -2.212 1.937 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.172 -1.306 3.166 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.870 -3.470 2.173 1.00 0.00 C ATOM 0 H VAL A 85 4.475 -3.528 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 85 3.091 -2.967 2.476 1.00 0.00 H new ATOM 0 HB VAL A 85 5.396 -1.658 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.227 -1.100 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.645 -0.368 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.744 -1.804 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.892 -3.185 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.442 -4.043 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.873 -4.080 1.270 1.00 0.00 H new ATOM 1278 N ILE A 86 1.797 -0.872 1.790 1.00 0.00 N ATOM 1279 CA ILE A 86 1.034 0.328 1.465 1.00 0.00 C ATOM 1280 C ILE A 86 1.282 1.317 2.589 1.00 0.00 C ATOM 1281 O ILE A 86 0.626 1.231 3.624 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.465 -0.017 1.381 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.793 -0.934 0.185 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.336 1.257 1.297 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.843 -0.180 -1.149 1.00 0.00 C ATOM 0 H ILE A 86 1.475 -1.325 2.645 1.00 0.00 H new ATOM 0 HA ILE A 86 1.337 0.745 0.505 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.698 -0.555 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.044 -1.723 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.753 -1.419 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.387 0.976 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.172 1.869 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.063 1.826 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.078 -0.878 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.611 0.592 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.125 0.283 -1.342 1.00 0.00 H new ATOM 1297 N ARG A 87 2.198 2.269 2.424 1.00 0.00 N ATOM 1298 CA ARG A 87 2.416 3.290 3.435 1.00 0.00 C ATOM 1299 C ARG A 87 1.520 4.436 3.029 1.00 0.00 C ATOM 1300 O ARG A 87 1.982 5.308 2.302 1.00 0.00 O ATOM 1301 CB ARG A 87 3.914 3.614 3.513 1.00 0.00 C ATOM 1302 CG ARG A 87 4.296 4.828 4.381 1.00 0.00 C ATOM 1303 CD ARG A 87 5.746 5.226 4.082 1.00 0.00 C ATOM 1304 NE ARG A 87 6.096 6.535 4.659 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.057 7.349 4.194 1.00 0.00 C ATOM 1306 NH1 ARG A 87 7.685 7.088 3.050 1.00 0.00 N ATOM 1307 NH2 ARG A 87 7.392 8.435 4.879 1.00 0.00 N ATOM 0 H ARG A 87 2.797 2.351 1.602 1.00 0.00 H new ATOM 0 HA ARG A 87 2.157 2.993 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.436 2.738 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.282 3.785 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.627 5.663 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.184 4.584 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.418 4.465 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.898 5.255 3.003 1.00 0.00 H new ATOM 0 HE ARG A 87 5.568 6.847 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.439 6.258 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.413 7.718 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.920 8.650 5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.122 9.055 4.527 1.00 0.00 H new ATOM 1321 N ARG A 88 0.240 4.430 3.426 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.576 5.621 3.311 1.00 0.00 C ATOM 1323 C ARG A 88 -0.422 6.407 4.585 1.00 0.00 C ATOM 1324 O ARG A 88 -0.935 5.970 5.619 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.057 5.360 3.012 1.00 0.00 C ATOM 1326 CG ARG A 88 -2.559 6.442 2.054 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.653 7.395 2.414 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.209 8.771 2.745 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.910 9.872 2.411 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -5.197 9.805 2.100 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.329 11.066 2.371 1.00 0.00 N ATOM 0 H ARG A 88 -0.237 3.620 3.823 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.220 6.178 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.185 4.373 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.637 5.373 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.693 7.049 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.879 5.930 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.356 7.447 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.198 6.991 3.267 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.331 8.889 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.678 8.906 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.706 10.653 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.338 11.159 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.874 11.890 2.116 1.00 0.00 H new ATOM 1345 N GLY A 89 0.175 7.589 4.507 1.00 0.00 N ATOM 1346 CA GLY A 89 0.409 8.436 5.669 1.00 0.00 C ATOM 1347 C GLY A 89 -0.844 8.937 6.405 1.00 0.00 C ATOM 1348 O GLY A 89 -0.711 9.690 7.367 1.00 0.00 O ATOM 0 H GLY A 89 0.512 7.989 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.025 7.883 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.989 9.302 5.351 1.00 0.00 H new ATOM 1352 N LYS A 90 -2.055 8.531 5.987 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.278 8.656 6.785 1.00 0.00 C ATOM 1354 C LYS A 90 -3.103 7.913 8.111 1.00 0.00 C ATOM 1355 O LYS A 90 -3.466 8.437 9.159 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.491 8.118 5.992 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.801 8.199 6.798 1.00 0.00 C ATOM 1358 CD LYS A 90 -7.078 7.942 5.977 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.516 6.473 5.841 1.00 0.00 C ATOM 1360 NZ LYS A 90 -6.727 5.668 4.885 1.00 0.00 N ATOM 0 H LYS A 90 -2.210 8.102 5.074 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.466 9.707 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.600 8.687 5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.306 7.082 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.757 7.475 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.871 9.187 7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.895 8.502 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.930 8.349 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.460 6.001 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.562 6.449 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.367 5.077 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.192 6.301 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.066 5.059 5.407 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.566 6.694 8.059 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.188 5.891 9.211 1.00 0.00 C ATOM 1376 C LYS A 91 -0.779 5.386 8.934 1.00 0.00 C ATOM 1377 O LYS A 91 0.169 6.085 9.281 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.268 4.867 9.570 1.00 0.00 C ATOM 1379 CG LYS A 91 -2.806 3.893 10.663 1.00 0.00 C ATOM 1380 CD LYS A 91 -4.004 3.101 11.173 1.00 0.00 C ATOM 1381 CE LYS A 91 -3.517 1.873 11.956 1.00 0.00 C ATOM 1382 NZ LYS A 91 -4.563 0.848 12.151 1.00 0.00 N ATOM 0 H LYS A 91 -2.377 6.224 7.174 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.138 6.456 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.163 5.389 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.543 4.305 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.050 3.215 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.343 4.442 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.623 3.730 11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.628 2.787 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.675 1.426 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.149 2.195 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.169 0.047 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.358 1.260 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.899 0.514 11.225 1.00 0.00 H new ATOM 1396 N LYS A 92 -0.578 4.221 8.309 1.00 0.00 N ATOM 1397 CA LYS A 92 0.735 3.598 8.286 1.00 0.00 C ATOM 1398 C LYS A 92 0.917 2.710 7.042 1.00 0.00 C ATOM 1399 O LYS A 92 0.367 3.023 5.974 1.00 0.00 O ATOM 1400 CB LYS A 92 0.928 2.895 9.654 1.00 0.00 C ATOM 1401 CG LYS A 92 2.343 3.075 10.221 1.00 0.00 C ATOM 1402 CD LYS A 92 2.544 4.337 11.076 1.00 0.00 C ATOM 1403 CE LYS A 92 3.103 5.532 10.290 1.00 0.00 C ATOM 1404 NZ LYS A 92 4.579 5.627 10.303 1.00 0.00 N ATOM 0 H LYS A 92 -1.305 3.700 7.819 1.00 0.00 H new ATOM 0 HA LYS A 92 1.537 4.328 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.203 3.290 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.718 1.831 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.590 2.202 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.050 3.100 9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.590 4.620 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.222 4.105 11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.763 5.464 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.687 6.451 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.873 6.526 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.921 5.587 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.983 4.835 9.763 1.00 0.00 H new ATOM 1418 N TYR A 93 1.776 1.695 7.203 1.00 0.00 N ATOM 1419 CA TYR A 93 2.242 0.700 6.240 1.00 0.00 C ATOM 1420 C TYR A 93 1.391 -0.573 6.338 1.00 0.00 C ATOM 1421 O TYR A 93 1.791 -1.545 6.976 1.00 0.00 O ATOM 1422 CB TYR A 93 3.741 0.364 6.404 1.00 0.00 C ATOM 1423 CG TYR A 93 4.636 1.368 7.111 1.00 0.00 C ATOM 1424 CD1 TYR A 93 4.632 1.400 8.516 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.552 2.174 6.409 1.00 0.00 C ATOM 1426 CE1 TYR A 93 5.432 2.320 9.210 1.00 0.00 C ATOM 1427 CE2 TYR A 93 6.337 3.119 7.093 1.00 0.00 C ATOM 1428 CZ TYR A 93 6.253 3.211 8.497 1.00 0.00 C ATOM 1429 OH TYR A 93 6.920 4.178 9.174 1.00 0.00 O ATOM 0 H TYR A 93 2.206 1.538 8.114 1.00 0.00 H new ATOM 0 HA TYR A 93 2.126 1.138 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.812 -0.581 6.943 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.154 0.195 5.409 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.008 0.711 9.066 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.652 2.066 5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.417 2.344 10.290 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.001 3.771 6.545 1.00 0.00 H new ATOM 0 HH TYR A 93 7.446 4.714 8.545 1.00 0.00 H new ATOM 1439 N TYR A 94 0.202 -0.608 5.756 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.628 -1.794 5.830 1.00 0.00 C ATOM 1441 C TYR A 94 -0.081 -2.791 4.817 1.00 0.00 C ATOM 1442 O TYR A 94 0.402 -2.395 3.750 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.071 -1.435 5.497 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.449 0.007 5.757 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.836 0.478 7.023 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -2.310 0.900 4.695 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.040 1.856 7.223 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -2.478 2.272 4.884 1.00 0.00 C ATOM 1449 CZ TYR A 94 -2.826 2.761 6.155 1.00 0.00 C ATOM 1450 OH TYR A 94 -2.895 4.106 6.341 1.00 0.00 O ATOM 0 H TYR A 94 -0.205 0.166 5.232 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.612 -2.222 6.832 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.251 -1.658 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.733 -2.078 6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.976 -0.215 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.069 0.524 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.359 2.222 8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.341 2.955 4.058 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.092 4.529 5.972 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.134 -4.072 5.153 1.00 0.00 N ATOM 1461 CA LEU A 95 0.423 -5.123 4.326 1.00 0.00 C ATOM 1462 C LEU A 95 -0.696 -5.740 3.500 1.00 0.00 C ATOM 1463 O LEU A 95 -1.788 -5.986 4.000 1.00 0.00 O ATOM 1464 CB LEU A 95 1.123 -6.145 5.228 1.00 0.00 C ATOM 1465 CG LEU A 95 1.736 -7.358 4.506 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.739 -6.910 3.438 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.462 -8.249 5.521 1.00 0.00 C ATOM 0 H LEU A 95 -0.568 -4.409 6.012 1.00 0.00 H new ATOM 0 HA LEU A 95 1.168 -4.733 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.913 -5.635 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.404 -6.507 5.963 1.00 0.00 H new ATOM 0 HG LEU A 95 0.929 -7.911 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.158 -7.786 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.233 -6.284 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.541 -6.341 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.895 -9.107 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.254 -7.678 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.753 -8.596 6.273 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.421 -6.030 2.241 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.345 -6.681 1.330 1.00 0.00 C ATOM 1481 C ILE A 96 -0.599 -7.879 0.769 1.00 0.00 C ATOM 1482 O ILE A 96 0.560 -7.745 0.372 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.762 -5.724 0.187 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.138 -4.293 0.644 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.885 -6.368 -0.650 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.447 -4.171 1.429 1.00 0.00 C ATOM 0 H ILE A 96 0.478 -5.812 1.812 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.260 -6.977 1.842 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.876 -5.583 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.328 -3.903 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.203 -3.655 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.175 -5.690 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.529 -7.305 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.747 -6.564 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.613 -3.128 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.275 -4.523 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.386 -4.775 2.334 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.237 -9.041 0.690 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.759 -10.135 -0.115 1.00 0.00 C ATOM 1500 C ARG A 97 -1.893 -10.781 -0.918 1.00 0.00 C ATOM 1501 O ARG A 97 -3.075 -10.439 -0.797 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.001 -11.096 0.810 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.663 -11.573 2.110 1.00 0.00 C ATOM 1504 CD ARG A 97 0.142 -12.767 2.648 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.407 -13.296 3.905 1.00 0.00 N ATOM 1506 CZ ARG A 97 -0.614 -14.585 4.211 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -0.369 -15.567 3.344 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.076 -14.912 5.412 1.00 0.00 N ATOM 0 H ARG A 97 -2.104 -9.242 1.189 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.065 -9.789 -0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.249 -11.982 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.940 -10.616 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.684 -10.767 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.697 -11.864 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.155 -13.559 1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.176 -12.462 2.807 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.656 -12.611 4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.012 -15.349 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.538 -16.537 3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.272 -14.184 6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.235 -15.892 5.648 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.523 -11.718 -1.782 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.442 -12.659 -2.359 1.00 0.00 C ATOM 1524 C TYR A 98 -2.255 -13.996 -1.650 1.00 0.00 C ATOM 1525 O TYR A 98 -1.262 -14.183 -0.943 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.323 -12.741 -3.884 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.977 -12.541 -4.552 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.180 -13.171 -4.054 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.917 -11.810 -5.758 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.392 -13.078 -4.756 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.294 -11.709 -6.462 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.443 -12.362 -5.968 1.00 0.00 C ATOM 1533 OH TYR A 98 2.577 -12.356 -6.702 1.00 0.00 O ATOM 0 H TYR A 98 -0.561 -11.837 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.467 -12.323 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.692 -13.721 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.005 -12.001 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.135 -13.727 -3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.804 -11.327 -6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.281 -13.553 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.345 -11.135 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 98 2.396 -12.735 -7.587 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.242 -14.879 -1.811 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.362 -16.194 -1.210 1.00 0.00 C ATOM 1545 C ALA A 99 -2.214 -17.068 -1.693 1.00 0.00 C ATOM 1546 O ALA A 99 -2.349 -17.848 -2.638 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.731 -16.788 -1.562 1.00 0.00 C ATOM 0 H ALA A 99 -4.037 -14.669 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.299 -16.131 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.825 -17.776 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.519 -16.139 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.824 -16.872 -2.645 1.00 0.00 H new